COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.799  -4.023  12.815  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.754  -4.127  13.521  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.718  -4.894  14.493  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.524  -3.285  13.208  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.036  -2.480  14.439  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.841  -1.667  14.018  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.484  -1.977  14.039  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.662  -1.018  13.544  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.960  -3.224  14.600  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.563  -3.676  14.641  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.124  -4.890  15.187  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.955  -6.008  15.772  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.217  -5.756  17.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.960  -6.871  17.980  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.368  -6.604  19.126  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.144  -7.969  17.409  1.00  0.00           O  
HETATM   17  C   UNL     1       0.259  -4.865  15.051  1.00  0.00           C  
HETATM   18  C   UNL     1       1.267  -5.902  15.482  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.576  -2.871  14.210  1.00  0.00           N  
HETATM   20  C   UNL     1       0.536  -3.650  14.434  1.00  0.00           C  
HETATM   21  C   UNL     1       1.889  -3.208  14.070  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.883  -0.417  13.465  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.126   0.406  13.291  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.563  -0.062  13.194  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.150   1.186  12.553  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.826   1.615  12.165  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.548   2.824  11.512  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.519   3.946  11.142  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.951   3.791   9.752  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.174   2.825  11.347  1.00  0.00           C  
HETATM   31  C   UNL     1       0.679   3.897  10.718  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.718   0.867  12.421  1.00  0.00           N  
HETATM   33  C   UNL     1       0.268   1.619  11.919  1.00  0.00           C  
HETATM   34  C   UNL     1       1.654   1.161  11.971  1.00  0.00           C  
HETATM   35  C   UNL     1       2.206  -0.075  12.520  1.00  0.00           C  
HETATM   36  N   UNL     1       1.456  -0.986  13.079  1.00  0.00           N  
HETATM   37  C   UNL     1       2.300  -1.945  13.411  1.00  0.00           C  
HETATM   38  C   UNL     1       3.573  -0.415  12.543  1.00  0.00           C  
HETATM   39  C   UNL     1       4.702   0.445  12.023  1.00  0.00           C  
HETATM   40  C   UNL     1       5.312  -0.080  10.789  1.00  0.00           C  
HETATM   41  C   UNL     1       3.622  -1.637  13.120  1.00  0.00           C  
HETATM   42  C   UNL     1       4.833  -2.490  13.377  1.00  0.00           C  
HETATM   43 MO   UNL     1      -0.602  -0.881  13.556  1.00  0.00          Mo  
HETATM   44  O   UNL     1      -0.395  -0.114  15.154  1.00  0.00           O  
HETATM   45  H   UNL     1      -8.555  -5.336  14.580  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.714  -3.951  12.877  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.773  -2.581  12.401  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.837  -1.813  14.790  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.752  -3.170  15.248  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.688  -3.892  15.036  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.914  -6.065  15.237  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.415  -6.959  15.658  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.247  -5.608  17.736  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.816  -4.837  17.323  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.829  -7.355  19.481  1.00  0.00           H  
HETATM   56  H   UNL     1       0.744  -6.754  15.940  1.00  0.00           H  
HETATM   57  H   UNL     1       1.834  -6.248  14.606  1.00  0.00           H  
HETATM   58  H   UNL     1       1.958  -5.459  16.215  1.00  0.00           H  
HETATM   59  H   UNL     1       2.688  -3.892  14.314  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.002  -0.182  13.602  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.055   1.313  13.910  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.232   0.691  12.234  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.946   1.884  12.340  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.017   4.917  11.262  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.397   3.902  11.804  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.649   4.601   9.492  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.075   3.835   9.089  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.454   2.820   9.631  1.00  0.00           H  
HETATM   69  H   UNL     1       0.987   4.620  11.488  1.00  0.00           H  
HETATM   70  H   UNL     1       1.572   3.438  10.269  1.00  0.00           H  
HETATM   71  H   UNL     1       0.101   4.415   9.938  1.00  0.00           H  
HETATM   72  H   UNL     1       2.378   1.836  11.540  1.00  0.00           H  
HETATM   73  H   UNL     1       5.480   0.507  12.798  1.00  0.00           H  
HETATM   74  H   UNL     1       4.308   1.451  11.817  1.00  0.00           H  
HETATM   75  H   UNL     1       6.123   0.590  10.466  1.00  0.00           H  
HETATM   76  H   UNL     1       5.720  -1.084  10.980  1.00  0.00           H  
HETATM   77  H   UNL     1       4.549  -0.139   9.999  1.00  0.00           H  
HETATM   78  H   UNL     1       4.525  -3.428  13.863  1.00  0.00           H  
HETATM   79  H   UNL     1       5.330  -2.717  12.423  1.00  0.00           H  
HETATM   80  H   UNL     1       5.530  -1.949  14.034  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   45                                                 
CONECT    4    2    5   46   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6   22   22    7    5                                       
CONECT    7    8    8    6    9                                       
CONECT    8   24   43    7    7                                       
CONECT    9    7   10   10   50                                       
CONECT   10   19    9    9   11                                       
CONECT   11   10   17   17   12                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   55                                                 
CONECT   16   14   14                                                 
CONECT   17   20   11   11   18                                       
CONECT   18   17   56   57   58                                       
CONECT   19   43   20   10                                            
CONECT   20   21   21   19   17                                       
CONECT   21   37   20   20   59                                       
CONECT   22   24   23    6    6                                       
CONECT   23   22   60   61   62                                       
CONECT   24   25   25   22    8                                       
CONECT   25   26   24   24   63                                       
CONECT   26   27   27   32   25                                       
CONECT   27   28   30   26   26                                       
CONECT   28   29   27   64   65                                       
CONECT   29   28   66   67   68                                       
CONECT   30   31   27   33   33                                       
CONECT   31   30   69   70   71                                       
CONECT   32   33   26   43                                            
CONECT   33   30   30   34   32                                       
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   38   36                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36   41   21                                       
CONECT   38   39   35   41   41                                       
CONECT   39   40   38   73   74                                       
CONECT   40   39   75   76   77                                       
CONECT   41   38   38   42   37                                       
CONECT   42   41   78   79   80                                       
CONECT   43   32   36    8   19                                       
CONECT   43   44   44                                                 
CONECT   44   43   43                                                 
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
